N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide

C16H11Cl2N3O3S — CID 76877968

IUPACN-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H11Cl2N3O3S/c17-12-7-4-11(5-8-12)6-9-14(22)20-25(23,24)16-15(18)19-13-3-1-2-10-21(13)16/h1-10H,(H,20,22)
InChIKeyIGRBIUNJFLGMQU-UHFFFAOYSA-N
MW396.26 g/mol
LogP3.16
Rot. Bonds4

About N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide

N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 76877968) has the molecular formula C16H11Cl2N3O3S and a molecular weight of 396.26 g/mol. Its IUPAC name is N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide
PubChem CID76877968
Molecular FormulaC16H11Cl2N3O3S
Molecular Weight396.26 g/mol
Exact Mass394.99
IUPAC NameN-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H11Cl2N3O3S/c17-12-7-4-11(5-8-12)6-9-14(22)20-25(23,24)16-15(18)19-13-3-1-2-10-21(13)16/h1-10H,(H,20,22)
InChIKeyIGRBIUNJFLGMQU-UHFFFAOYSA-N
XLogP3.16
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide (CID 76877968) is N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)NS(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is IGRBIUNJFLGMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3S/c17-12-7-4-11(5-8-12)6-9-14(22)20-25(23,24)16-15(18)19-13-3-1-2-10-21(13)16/h1-10H,(H,20,22).
What are the key properties of N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide?
N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 396.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 76877968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).